ChemSpider 2D Image | 6-Butyl 8-ethyl (2Z)-5-amino-2-(3-methoxybenzylidene)-7-(3-methoxyphenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate | C30H32N2O7S

6-Butyl 8-ethyl (2Z)-5-amino-2-(3-methoxybenzylidene)-7-(3-methoxyphenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate

  • Molecular FormulaC30H32N2O7S
  • Average mass564.649 Da
  • Monoisotopic mass564.192993 Da
  • ChemSpider ID4851458

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2Z)-5-Amino-2-(3-méthoxybenzylidène)-7-(3-méthoxyphényl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate de 6-butyle et de 8-éthyle [French] [ACD/IUPAC Name]
6-Butyl 8-ethyl (2Z)-5-amino-2-(3-methoxybenzylidene)-7-(3-methoxyphenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate [ACD/IUPAC Name]
6-Butyl-8-ethyl-(2Z)-5-amino-2-(3-methoxybenzyliden)-7-(3-methoxyphenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridin-6,8-dicarboxylat [German] [ACD/IUPAC Name]
7H-Thiazolo[3,2-a]pyridine-6,8-dicarboxylic acid, 5-amino-2,3-dihydro-7-(3-methoxyphenyl)-2-[(3-methoxyphenyl)methylene]-3-oxo-, 6-butyl 8-ethyl ester, (2Z)- [ACD/Index Name]
6-O-butyl 8-O-ethyl (2Z)-5-amino-7-(3-methoxyphenyl)-2-[(3-methoxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 741.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 108.1±3.0 kJ/mol
    Flash Point: 402.2±32.9 °C
    Index of Refraction: 1.640
    Molar Refractivity: 152.1±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 2
    ACD/LogP: 6.67
    ACD/LogD (pH 5.5): 4.76
    ACD/BCF (pH 5.5): 2446.83
    ACD/KOC (pH 5.5): 9213.91
    ACD/LogD (pH 7.4): 4.77
    ACD/BCF (pH 7.4): 2500.55
    ACD/KOC (pH 7.4): 9416.19
    Polar Surface Area: 143 Å2
    Polarizability: 60.3±0.5 10-24cm3
    Surface Tension: 61.8±5.0 dyne/cm
    Molar Volume: 422.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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